2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid

C15H10N2O4 — CID 776395

IUPAC2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESCc1cccnc1N1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C15H10N2O4/c1-8-3-2-6-16-12(8)17-13(18)10-5-4-9(15(20)21)7-11(10)14(17)19/h2-7H,1H3,(H,20,21)
InChIKeyRWHOUAUZXMXDEZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.89
Rot. Bonds2

About 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 776395) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID776395
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESCc1cccnc1N1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C15H10N2O4/c1-8-3-2-6-16-12(8)17-13(18)10-5-4-9(15(20)21)7-11(10)14(17)19/h2-7H,1H3,(H,20,21)
InChIKeyRWHOUAUZXMXDEZ-UHFFFAOYSA-N
XLogP1.89
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 776395) is 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid is Cc1cccnc1N1C(=O)c2ccc(C(=O)O)cc2C1=O.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is RWHOUAUZXMXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c1-8-3-2-6-16-12(8)17-13(18)10-5-4-9(15(20)21)7-11(10)14(17)19/h2-7H,1H3,(H,20,21).
What are the key properties of 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 776395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).